! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -3.4835540738  -2.9801637440   1.6665731990
F    3.7523753865   1.5506914512  -2.3946370848
F    3.3745487349  -0.4744457796  -1.7970117827
F    1.8051554487   0.9980542373  -1.6866897699
F   -3.7207777154   2.6470088522  -0.9429829986
F   -4.5960383097   1.1639363180  -2.2277064345
F   -5.4090046443   1.4954535005  -0.2654882324
O    3.5031919520  -2.1293998943   1.0882485634
N    1.5302645341  -1.2001905901   0.4647583782
N   -1.1236419554  -0.4326958157  -0.2008798159
C   -0.5323123778  -2.4981040802   0.9245866779
C    0.8005235310  -2.4182625998   0.1947059447
C   -1.5507054575  -1.4906502632   0.4775127896
C    3.3873670721   0.2313809569   0.9641298650
C    2.8162858184  -1.1535274534   0.8230435932
C    3.5361141710   1.1414649622  -0.0862832521
C   -2.9124697509  -1.6319664565   0.7554427566
C   -3.3378963826   0.3958229509  -0.4053165622
C   -3.8184934936  -0.6920587638   0.3068394991
C    3.8425019890   0.5817595633   2.2305698231
C    4.0935974759   2.3926576843   0.1556704107
C   -1.9737288101   0.4842398915  -0.6306394877
C    3.1191799376   0.8018740324  -1.4880308035
C    4.3918254715   1.8308519250   2.4680802317
C    4.5115159477   2.7402977082   1.4295929707
C   -4.2682315055   1.4284550543  -0.9563003453
H   -0.9301314845  -3.5042158972   0.7774272950
H   -0.3752769049  -2.3956794247   2.0032570600
H    1.4124172584  -3.2622297521   0.5053208149
H    0.6405217795  -2.5188469310  -0.8819032438
H    1.0291580700  -0.3468915793   0.2671910355
H   -4.8729603381  -0.8154069798   0.5145589495
H    3.7529457425  -0.1267935910   3.0438024169
H    4.2194360883   3.1055842775  -0.6473148484
H   -1.5417912748   1.3163957370  -1.1734709540
H    4.7291456271   2.0899113166   3.4627743344
H    4.9418283340   3.7172121148   1.6031918602
*